7R3E

Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR	polymer	579	65839.8	2	UniProt (P20581) UniProt (P54292) Pfam (PF00753) Pfam (PF03472) Pfam (PF00196)	Pseudomonas aeruginosa PAO1	Elastase modulator
2	C, D, F, G (A, B)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
3	E, H (A, B)	4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide	non-polymer		358.3	2	Chemie (K5G)
4	I, J (A, B)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

A, B: 1 - 301 (UniProt: P20581)

PDB	External Database	Details
Met -16	-	initiating methionine
Gly -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ala -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ser 312	-	linker
Gly 313	-	linker
Ser 314	-	linker
Glu 315	-	linker
Thr 316	-	linker
Pro 317	-	linker
Gly 318	-	linker
Thr 319	-	linker
Ser 320	-	linker
Glu 321	-	linker
Ser 322	-	linker
Ala 323	-	linker
Thr 324	-	linker
Pro 325	-	linker
Glu 326	-	linker
Ser 327	-	linker
Gly 328	-	linker
Pro 329	-	linker
Gly 330	-	linker
Thr 331	-	linker

A, B: 332 - 572 (UniProt: P54292)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	131679.6
Non-Polymers*	Number of molecules	6
	Total formula weight	939.9
All*	Total formula weight	132619.5

*Water molecules are not included.